SCHEMBL15417162

SCHEMBL15417162

CN(C)C(=O)c1nn(CC(F)(F)F)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15417254 0.90 PDE10A (1.00) PDE10A
SCHEMBL16502335 0.88 PDE10A (0.79) PDE10A
SCHEMBL15417684 0.88 PDE10A (1.00) PDE10A
SCHEMBL19372319 0.88 PDE10A (0.78) PDE10A
SCHEMBL15417191 0.86 PDE10A (1.00) PDE10A
SCHEMBL15417211 0.82 PDE10A (1.00) PDE10A
SCHEMBL12069481 0.79 PDE10A (1.00) PDE10A
SCHEMBL19372132 0.79 PDE10A (0.79) PDE10A
SCHEMBL7519115 0.78 PDE10A (1.00) PDE10A
SCHEMBL12070050 0.78 PDE10A (1.00) PDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
US-8623866-B2 2014-01-07 US disclosed